SCHEMBL5451697

SCHEMBL5451697

O=CNCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.76
ADH1C P00326 1/20 0.76
ADH1A P07327 1/20 0.76
ADH7 P40394 1/20 0.76
RAB9A P51151 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
LMNA P02545 3/20 0.49
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
FFAR1 O14842 2/20 0.46
EPHX2 P34913 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
HTT P42858 2/20 0.46
ABCC4 O15439 1/20 0.45
GAA P10253 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1691160 1.00 ADH1B (0.76) ADH1BADH1CADH1AADH7RAB9A
SCHEMBL27354 0.87 ADH1B (1.00) ADH1BADH1CADH1AADH7MEN1
Hydrochloric Acid SCHEMBL3741186 0.85 ADH1B (0.95) ADH1BADH1CADH1AADH7MEN1
SCHEMBL8763196 0.84 ADH1B (0.76) ADH1BADH1CADH1AADH7MEN1
SCHEMBL8473492 0.82 ADH1B (0.68) ADH1BADH1CADH1AADH7FFAR1
SCHEMBL27666130 0.82 ADH1B (0.55) ADH1BADH1CADH1AADH7MEN1
SCHEMBL5420664 0.80 FFAR1 (0.48) ADH1BADH1CADH1AADH7MEN1
SCHEMBL5428912 0.80 ADH1B (0.70) ADH1BADH1CADH1AADH7RAB9A
SCHEMBL13925680 0.79 RAB9A (0.52) ADH1BADH1CADH1AADH7RAB9A
SCHEMBL3311315 0.79 ADH1B (0.68) ADH1BADH1CADH1AADH7ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070117848-A1 METALLOPROTEIN INHIBITORS REGENTS OF THE UNIVERSITY OF CALIFORNIA, SAN DIEGO 2007-05-24 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070117848-A1 METALLOPROTEIN INHIBITORS SOD1, ZFX, SOD3 ADH1B 664/4885ADH1C 1861/4885ADH1A 1501/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.